SCHEMBL7809277

SCHEMBL7809277

CC(=O)Nc1c(O)cc(NC(=O)Cn2cc[n+](CC(=O)Nc3cc(O)c(NC(C)=O)c(Cl)c3)c2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.34
UBE2N P61088 2/20 0.34
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RECQL P46063 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7630660 0.99 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1HPGDTSHR
SCHEMBL6946389 0.87 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1HPGDTSHR
Hydrochloric Acid SCHEMBL6941302 0.86 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1HPGDTSHR
SCHEMBL6573730 0.84 MEN1 (0.34) ALDH1A1LMNAMAPK1HPGDTSHR
Hydrochloric Acid SCHEMBL6575506 0.83 MEN1 (0.33) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL6573675 0.82 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1HPGDTSHR
Hydrochloric Acid SCHEMBL6572714 0.81 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1HPGDTSHR
SCHEMBL6572876 0.81 LMNA (0.39) ALDH1A1LMNAMAPK1HPGDTSHR
Hydrochloric Acid SCHEMBL6573898 0.80 POLB (0.40) ALDH1A1LMNAMAPK1HPGDMAPT
Hydrochloric Acid SCHEMBL7638035 0.80 POLB (0.40) ALDH1A1LMNAMAPK1HPGDTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066263-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000043368-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed